Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66745
- Core Entity Id
- 129394
- Source Entity Count
- 1
- Preferred Name
- 1-Nonanamine
- Name En
- Pubchem Id
- 16215
- Smiles Canonical
- CCCCCCCCCN
- Molecular Formula
- C9H21N
- Molecular Weight
- 143.1700
- Inchikey
- FJDUDHYHRVPMJZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.7000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 26.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Nonanamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-Nonanamine
Itcmdb Generated
ITX-INGREDIENT-C1212DDFF763
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
143.170
Molecular Formula
C9H21N
Fda Maximum Daily Dose (Fdamdd)
0.089
Quantitative Estimate Of Drug Likeness（Qed）
0.545